ChemSpider 2D Image | 4-Chloro-6-{3-methoxy-4-[(4-nitro-1-pyrazolidinyl)methoxy]phenyl}-2-thioxo-1,2-dihydro-5-pyrimidinecarbonitrile | C16H15ClN6O4S

4-Chloro-6-{3-methoxy-4-[(4-nitro-1-pyrazolidinyl)methoxy]phenyl}-2-thioxo-1,2-dihydro-5-pyrimidinecarbonitrile

  • Molecular FormulaC16H15ClN6O4S
  • Average mass422.846 Da
  • Monoisotopic mass422.056396 Da
  • ChemSpider ID111221319

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Chlor-6-{3-methoxy-4-[(4-nitro-1-pyrazolidinyl)methoxy]phenyl}-2-thioxo-1,2-dihydro-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4-Chloro-6-{3-methoxy-4-[(4-nitro-1-pyrazolidinyl)methoxy]phenyl}-2-thioxo-1,2-dihydro-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-Chloro-6-{3-méthoxy-4-[(4-nitro-1-pyrazolidinyl)méthoxy]phényl}-2-thioxo-1,2-dihydro-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 4-chloro-1,2-dihydro-6-[3-methoxy-4-[(4-nitro-1-pyrazolidinyl)methoxy]phenyl]-2-thioxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 605.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 319.8±34.3 °C
Index of Refraction: 1.724
Molar Refractivity: 103.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 64.7±7.0 dyne/cm
Molar Volume: 261.7±7.0 cm3

Click to predict properties on the Chemicalize site


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